>compound Pyridoxine_Pyridoxine
#instrument UPLC Q-Tof Premier, Waters
>formula C8H11NO3
#smiles OCc(c1)c(CO)c(O)c(C)n1
#RECORD LC-ESI-QTOF_train_data/PR100196.txt;LC-ESI-QTOF_train_data/PR100602.txt
>charge 1
>ionization [M+H]+
>parentmass 170.08169

>collision 5-60
134.0608 1484.0
152.0709 1501.0
170.0817 433.6

>collision 5-60
92.0508 9.346
107.0385 21.66
108.0459 53.91
121.0541 28.27
122.0613 100.0
138.0564 32.54
150.0563 151.3
162.8412 8.297
166.0502 39.71
168.0661 76.37

